2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide

C25H20N4O2 — CID 4244782

IUPAC2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
SMILESCOc1c(C)cccc1C(=O)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C25H20N4O2/c1-16-7-5-11-20(24(16)31-2)25(30)26-18-13-14-21-22(15-18)28-29(27-21)23-12-6-9-17-8-3-4-10-19(17)23/h3-15H,1-2H3,(H,26,30)
InChIKeyRIIPMZMUDDSIOG-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.14
Rot. Bonds4

About 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide

2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide (PubChem CID 4244782) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
PubChem CID4244782
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
SMILESCOc1c(C)cccc1C(=O)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C25H20N4O2/c1-16-7-5-11-20(24(16)31-2)25(30)26-18-13-14-21-22(15-18)28-29(27-21)23-12-6-9-17-8-3-4-10-19(17)23/h3-15H,1-2H3,(H,26,30)
InChIKeyRIIPMZMUDDSIOG-UHFFFAOYSA-N
XLogP5.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide
CID 1362350
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
CID 17163167
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2411846
5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 22781544
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-phenylmethoxybenzamide
CID 17314524
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide
CID 19629659
1-methoxy-N-(3-methoxy-4-methylphenyl)naphthalene-2-carboxamide
CID 38112960
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide?
The IUPAC name of 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide (CID 4244782) is 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide is COc1c(C)cccc1C(=O)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1.
What is the InChIKey of 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide?
The InChIKey is RIIPMZMUDDSIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16-7-5-11-20(24(16)31-2)25(30)26-18-13-14-21-22(15-18)28-29(27-21)23-12-6-9-17-8-3-4-10-19(17)23/h3-15H,1-2H3,(H,26,30).
What are the key properties of 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide?
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 4244782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).